title: A theoretical study of acriflavin-DNA binding.
abstract: A theoretical study of binding behaviour of acriflavin, a well-known mutagen, with DNA base pairs such as AT, GC, TA and CG has been performed using CNDO/2 method to compute net atomic charges and dipoles located at various centres in acriflavine as well as base pairs. Acriflavine-DNA base pair interactions have been evaluated using second order perturbation method with multicentered multipole approximation. Only minimum energy configurations have been reported. Results have been discussed with a view to obtain a comparative behaviour of other similar dyes like proflavine and acridine orange.
authors.affiliation: Physics Department, University of Gorakhpur.
authors.forename: N K
authors.initials: NK
authors.lastname: Sanyal
authors.forename: M
authors.initials: M
authors.lastname: Roychoudhury
authors.forename: S N
authors.initials: SN
authors.lastname: Tiwari
authors.forename: K R
authors.initials: KR
authors.lastname: Ruhela
mesh_terms: D000167:Acriflavine / Q000737:chemistry / Q000378:metabolism*; D001482:Base Composition; D001665:Binding Sites; D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D008956:Models, Chemical; D013816:Thermodynamics
chemical_list: D000167:Acriflavine; D004247:DNA